Quantum characterization of materials using the density functional theory

Quantum characterization of materials using the density functional theory

Theoretical characterization of materials, from quantum mechanics, reveals entirely novel aspects. Its implementation requires prior knowledge of its crystalline structure, the atoms that compose it and their positions in it (First Principles). Solving the Schrodinger's equation is possible to...

Disgrifiad llawn

Manylion Llyfryddiaeth
Prif Awduron:	Uribe-Suárez, Carlos Alberto, Hernández-Ramos, Ricardo
Fformat:	Online
Iaith:	spa
Cyhoeddwyd:	Universidad Pedagógica y Tecnológica de Colombia - UPTC 2014
Pynciau:	DFT LAPW band structure dielectric function first principles dft lapw estructuta de bandas función dieléctrica primeros principios
Mynediad Ar-lein:	https://revistas.uptc.edu.co/index.php/ingenieria_sogamoso/article/view/3444

Eitemau Tebyg

Cálculo de la estructura electrónica de la superred (GaN)4(RuN)4. (Calculation of the Electronic Structure of (GaN)4(RuN)4 Superlattice.)
gan: Espitia R., M. J., et al.
Cyhoeddwyd: (2015)

Efectos de intercambio y correlación en las propiedades estructurales y electrónicas del TiO2 en la fase rutilo / Exchange and correlation effects on the structural and electronic properties of TiO2 on the rutile phase
gan: Gonzalez Hernandez, Rafael, et al.
Cyhoeddwyd: (2017)

Propiedades estructurales y electrónicas del Ti calculadas mediante la DFT
gan: Puerto, María, et al.
Cyhoeddwyd: (2013)

Estudio teórico de las reacciones Diels-Alder utilizando plantillas de antraceno a través del uso de orbitales de frontera. (A Diels-Alder Reaction Theoretical Study, by using Quiral Anthracene Groups, Through the Frontier Orbitals Usage.)
gan: Vivas Reyes, R., et al.
Cyhoeddwyd: (2015)

Dielectric strength test to protection elements for live lines works
gan: Pinto-Salamanca, Carlos Eduardo, et al.
Cyhoeddwyd: (2017)

Microwave Frequency Characterization of Barium Titanate Films Obtained Via Sol-Gel
gan: Marulanda-Bernal, José Ignacio, et al.
Cyhoeddwyd: (2019)

Limits and application of the principle of opportunity in crimes against minors
gan: Borbón, Diego
Cyhoeddwyd: (2022)

Propiedades electromagnéticas de un compuesto magneto dieléctrico a través de un algoritmo basado en el método Nicolson-Ross-Weir
gan: Peña Rodríguez, Gabriel, et al.
Cyhoeddwyd: (2021)

Principles, moral and positivism: answers and redefinition of contemporary positivism
gan: Fabra-Zamora, Jorge Luis
Cyhoeddwyd: (2014)

El concepto de pobreza y sus implicaciones en Colombia
gan: Herrera, Julián Augusto Casas
Cyhoeddwyd: (2009)

Structural, elastic, electronic and thermal properties of InAs: A study of functional density
gan: Mendoza-Estrada, Víctor, et al.
Cyhoeddwyd: (2017)

Special protection for workers in mattersof social security
gan: Hernández-Montenegro, Mariah Angélica, et al.
Cyhoeddwyd: (2014)

Ayni Llajta: Community Work as the Foundation of the Democratization Process in Bolivia
gan: Prieto Ruiz, Ómar Jerónimo
Cyhoeddwyd: (2017)

The Complexity of Latin-American Stock Market using a Behavioral Cellular Automaton Model
gan: Talero Sarmiento, Leonardo Hernán, et al.
Cyhoeddwyd: (2017)

Consequentialism as a limit on constitutional, legal and juridical argumentation
gan: Guagua-Castillo, Jairo, et al.
Cyhoeddwyd: (2014)

Analysis of the Performance of the mBJLDA Potential Considering Pressure Effects. (Análisis del rendimiento del potencial mBJLDA considerando efectos de presion.)
gan: Camargo Martínez, J. A., et al.
Cyhoeddwyd: (2015)

Constitutional basis of the adversarial criminal justicesystem in a social State of law
gan: Araque de Navas, Cándida Rosa
Cyhoeddwyd: (2013)

Balance in resolution of collision of fundamental rights. Special reference to the Spanish constitutional jurisprudence
gan: Ruiz-Ruiz, Ramón
Cyhoeddwyd: (2013)

What Happens in the Language Classroom in regards to Communication? An analysis of the Cooperative Principle
gan: Mora Menjura, Willian Alexander
Cyhoeddwyd: (2018)

Causes and early effects of Organic Law 1/2009 whichreforms the Principle of universal jurisdiction in Spain
gan: Esteve-Moltó, José Elías
Cyhoeddwyd: (2013)

Examination of weighting for the protectionof the fundamental rights of children
gan: Lizcano-Amézquita, Pedro Luis
Cyhoeddwyd: (2014)

The post-conflict law.From jus in bello to jus post bellum.The case of Colombia
gan: Parra, Nestor Hernando
Cyhoeddwyd: (2015)

A propósito de la labor del compositor. El catálogo de partituras del archivo de la Banda Sinfónica de Vientos de Boyacá
gan: Acuña Porras, David Alberto, et al.
Cyhoeddwyd: (2021)

ELEMENTARY EDUCATION AT THE DAWN OF THE INDEPENDENCE WITHIN AN IBEROAMERICAN CONTEXT
gan: Torres Aguilar, Morelos
Cyhoeddwyd: (2011)

Empirical evidence of the theory of consumption for colombia 2000-2010
gan: Herrera, Julián Augusto Casas, et al.
Cyhoeddwyd: (2011)

Strategic management across enterprise functions: an international competiveness pespective
gan: Zapata, Luis Fernando Bustamante, et al.
Cyhoeddwyd: (2013)

Transnational corporations and human rights : the tortuous search for responsibility in an unfair and unsustainable globalization.
gan: Esteve Moltó, José Elías
Cyhoeddwyd: (2021)

Concepts of Probability: a Study with Colombian University Students
gan: Valdivieso Miranda, Margoth Adriana, et al.
Cyhoeddwyd: (2023)

Protection of indigenous peoples in situations of voluntary isolation
gan: Schembri Carrasquilla, Ricardo, et al.
Cyhoeddwyd: (2021)

Communicative, scientific and pedagogical intentionality of the image: from the first illustrated book to interactive materials in the COVID-19 Post-pandemic
gan: Quintero Corzo, Josefina, et al.
Cyhoeddwyd: (2023)

El principio de oportunidad en el sistema penal acusatorio, entre el eficientismo y la certeza de la pena
gan: Castro C., John Jairo
Cyhoeddwyd: (2016)

Comparison of Kernel Functions in the Classification of Irradiance Zones from Multispectral Satellite Images
gan: Pachajoa, Dalila-Mercedes, et al.
Cyhoeddwyd: (2021)

A formal model for the functional test of software to achieve maturity integrated level 2
gan: Escobar-Sánchez, Milton Eduardo, et al.
Cyhoeddwyd: (2015)

Construction of a genetic decomposition: theoretical analysis of the concept of differential of a function in several variables
gan: Suárez-Aguilar, Zagalo Enrique
Cyhoeddwyd: (2015)

Implementation of a system of treatment with plasma for gases using a dielectric barrier discharge cell
gan: Mora Mendoza, Eduin Yesid, et al.
Cyhoeddwyd: (2014)

The production of capitalist urban space: contributions of functionalism, the School of Chicago, Henri Lefebvre and Manuel Castells
gan: L'Huillier, Francisco José
Cyhoeddwyd: (2021)

Towards Digital Transformation: Serverless Function Deployment Strategies
gan: Cabrera-Silva, Armando, et al.
Cyhoeddwyd: (2021)

Influence of the didactic contract in learning the concept of function
gan: Riscanevo Espitia, Lida Esperanza, et al.
Cyhoeddwyd: (2011)

ROSARIO VERA PEÑALOZA AN EDUCATOR THAT SWAYED INTO ARGENTINEAN TEACHING HISTORY
gan: Vera de Flachs, María Cristina
Cyhoeddwyd: (2013)

Prueba de rigidez dieléctrica a elementos de protección para trabajos con tensión TCT
gan: Pinto Salamanca, Carlos Eduardo, et al.
Cyhoeddwyd: (2019)